SCHEMBL4282333

SCHEMBL4282333

O=C(C[C@H]1CC[C@@H](NC(=O)[C@H]2CCCN2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
KDR P35968 1/20 0.41
LMNA P02545 1/20 0.41
TERT O14746 1/20 0.41
ACP1 P24666 1/20 0.40
CXCR3 P49682 4/20 0.40
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 2/20 0.38
EPHX2 P34913 1/20 0.38
HTR2C P28335 1/20 0.38
TACR1 P25103 1/20 0.37
PAK3 O75914 1/20 0.37
PAK1 Q13153 1/20 0.37
PAK2 Q13177 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4270711 1.00 HTR1A (0.43) HTR1ADRD2DRD3KDRLMNA
SCHEMBL4270712 1.00 HTR1A (0.43) HTR1ADRD2DRD3KDRLMNA
SCHEMBL4279707 1.00 HTR1A (0.43) HTR1ADRD2DRD3KDRLMNA
SCHEMBL4270706 1.00 HTR1A (0.43) HTR1ADRD2DRD3KDRLMNA
SCHEMBL4274244 1.00 HTR1A (0.43) HTR1ADRD2DRD3KDRLMNA
SCHEMBL4274250 1.00 HTR1A (0.43) HTR1ADRD2DRD3KDRLMNA
SCHEMBL4276679 0.97 HTR1A (0.41) HTR1ADRD2DRD3KDRLMNA
SCHEMBL4276666 0.97 HTR1A (0.41) HTR1ADRD2DRD3KDRLMNA
SCHEMBL4276672 0.97 HTR1A (0.41) HTR1ADRD2DRD3KDRLMNA
SCHEMBL8374288 0.92 HTR1A (0.40) HTR1ADRD2DRD3KDRLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298834-A1 4-(AMINOMETHYL)CYCLOHEXANAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-12-03 US disclosed
US-20090298834-A1 4-(AMINOMETHYL)CYCLOHEXANAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-12-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090298834-A1 4-(AMINOMETHYL)CYCLOHEXANAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNA1H HTR1A 258/4885DRD2 416/4885DRD3 532/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.